! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S    1.4031367015   1.8130497240   1.6637128271
F    0.5959150514  -0.8487492260  -1.1845040090
F   -0.4530147302  -2.6248833362  -0.5784617093
F    1.6105957927  -2.7448043195  -1.1847852221
O    1.4299889211   0.9515384326   2.8306234929
O    1.5085275939   3.2443240588   1.8512527429
O    0.1311934665   2.8660883094  -0.8211304138
O   -4.9048516786  -1.5821552185  -1.6372688512
N   -0.0726117309   1.4632530111   0.9556952270
N   -1.6083539389   1.4342558464  -0.7931205097
N   -2.0901807837  -0.2265713729   0.7615360661
N   -3.2585038961  -0.0549558394  -1.2709615208
N   -3.7729079294  -1.7760283808   0.2602806063
C    2.9843410188  -0.0327888325   0.2733938545
C    2.5688232251  -1.2256156213   1.1033623531
C    2.5977344224   1.3048939785   0.4543296497
C    1.1523927054  -1.7773462022   0.9253395383
C    3.8953521875  -0.2759120903  -0.7528377423
C    3.1201134855   2.3314641499  -0.3278676775
C    0.7337189703  -1.9987953588  -0.4997945060
C    4.4082191527   0.7351674261  -1.5491794003
C    4.0276041228   2.0479664496  -1.3321013993
C   -0.4636815905   1.9814934075  -0.2461244452
C   -2.3344975609   0.3416466554  -0.4099959475
C   -2.8239009750  -1.3033662558   1.0450655705
C   -3.9492440900  -1.1077866524  -0.8761757887
C   -2.5364148736  -2.0178965095   2.3143584055
C   -5.1921618161  -0.9388737211  -2.8799718309
H    3.2725293896  -2.0265919810   0.8798453371
H    2.6978185911  -1.0139397185   2.1625756032
H    1.1071606858  -2.7388176484   1.4392061268
H    0.4062382668  -1.1486743497   1.4060380388
H    4.2255833880  -1.2927827941  -0.9203938887
H    2.8267046052   3.3562132028  -0.1589551101
H    5.1139196822   0.4933618535  -2.3323150985
H    4.4295029868   2.8500584723  -1.9348307308
H   -0.6553225588   0.7191849468   1.3654104461
H   -1.8674402026   1.8346053916  -1.6859725694
H   -1.9771346500  -2.9305736818   2.0978213546
H   -1.9452406767  -1.4082503223   2.9924731675
H   -3.4590193711  -2.3176444149   2.8076374592
H   -4.3421708674  -0.9875242516  -3.5589313100
H   -5.4837835208   0.0999168586  -2.7333438928
H   -6.0251817842  -1.4893965202  -3.3065090284
*